{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=25","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=23","results":[{"id":"mp-1222743","created_at":"2022-09-04T14:48:10.692437Z","structure_string":"Li2 Lu1 U1 S4\n1.0\n-2.695792 2.695792 5.491267\n2.695792 -2.695792 5.491267\n2.695792 2.695792 -5.491267\nLi Lu U S\n2 1 1 4\ndirect\n0.500000 0.500000 0.000000 Li\n0.250000 0.750000 0.500000 Li\n0.000000 0.000000 0.000000 Lu\n0.750000 0.250000 0.500000 U\n0.000751 0.500751 0.500000 S\n0.756014 0.756014 0.000000 S\n0.499249 0.999249 0.500000 S\n0.243986 0.243986 0.000000 S\n","nsites":8,"nelements":4,"elements":["Li","Lu","U","S"],"chemical_system":"Li-Lu-S-U","density":5.774902696638691,"density_atomic":0.05011695479630286,"volume":159.62661802808023,"volume_molar":12.016174535098159,"formula_full":"Li2 Lu1 U1 S4","formula_reduced":"Li2LuUS4","formula_anonymous":"ABC2D4","energy":-50.76007833,"energy_per_atom":-6.34500979125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.74807833,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0064515,"is_theoretical":true,"updated_at":"2021-11-28T01:38:29.683000Z","spacegroup":119},{"id":"mp-1219230","created_at":"2022-09-04T14:48:10.705300Z","structure_string":"Sm2 V1 Co16\n1.0\n-4.188173 2.418042 4.075563\n0.000000 -4.836085 4.075563\n4.188173 2.418042 4.075563\nSm V Co\n2 1 16\ndirect\n0.656616 0.656616 0.656616 Sm\n0.350635 0.350635 0.350635 Sm\n0.091300 0.091300 0.091300 V\n0.343246 0.851128 0.343246 Co\n0.851128 0.343246 0.343246 Co\n0.343246 0.343246 0.851128 Co\n0.657391 0.148185 0.657391 Co\n0.148185 0.657391 0.657391 Co\n0.657391 0.657391 0.148185 Co\n0.710214 0.998296 0.288584 Co\n0.998296 0.288584 0.710214 Co\n0.288584 0.710214 0.998296 Co\n0.998296 0.710214 0.288584 Co\n0.710214 0.288584 0.998296 Co\n0.288584 0.998296 0.710214 Co\n0.000990 0.499981 0.000990 Co\n0.499981 0.000990 0.000990 Co\n0.000990 0.000990 0.499981 Co\n0.904710 0.904710 0.904710 Co\n","nsites":19,"nelements":3,"elements":["Sm","V","Co"],"chemical_system":"Co-Sm-V","density":8.680702060057953,"density_atomic":0.07672311500337266,"volume":247.64375115849742,"volume_molar":7.8491869884783405,"formula_full":"Sm2 V1 Co16","formula_reduced":"Sm2VCo16","formula_anonymous":"AB2C16","energy":-133.88815386,"energy_per_atom":-7.046744939999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-133.88815386,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.8471914,"is_theoretical":true,"updated_at":"2021-11-28T01:38:36.360000Z","spacegroup":160},{"id":"mp-753676","created_at":"2022-09-04T14:48:10.709256Z","structure_string":"Ta4 Ti2 O12\n1.0\n3.423848 4.572327 0.000000\n-3.423848 4.572327 0.000000\n0.000000 3.080130 6.807173\nTa Ti O\n4 2 12\ndirect\n0.828805 0.828805 0.671457 Ta\n0.821418 0.821418 0.173192 Ta\n0.171195 0.171195 0.328543 Ta\n0.178582 0.178582 0.826808 Ta\n0.500000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.124770 0.532141 0.171531 O\n0.806435 0.193565 0.500000 O\n0.398261 0.398261 0.805102 O\n0.738837 0.738837 0.466445 O\n0.065659 0.065659 0.129222 O\n0.261163 0.261163 0.533555 O\n0.601739 0.601739 0.194898 O\n0.934341 0.934341 0.870778 O\n0.875230 0.467859 0.828469 O\n0.193565 0.806435 0.500000 O\n0.532141 0.124770 0.171531 O\n0.467859 0.875230 0.828469 O\n","nsites":18,"nelements":3,"elements":["Ta","Ti","O"],"chemical_system":"O-Ta-Ti","density":7.880872621870206,"density_atomic":0.08445472709034145,"volume":213.1319420492041,"volume_molar":7.130614197069278,"formula_full":"Ta4 Ti2 O12","formula_reduced":"Ta2TiO6","formula_anonymous":"AB2C6","energy":-180.73741087,"energy_per_atom":-10.040967270555555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-172.49341087,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.3565854,"is_theoretical":true,"updated_at":"2021-11-28T01:38:24.914000Z","spacegroup":12},{"id":"mp-760931","created_at":"2022-09-04T14:48:09.811842Z","structure_string":"Co6 O6 F6\n1.0\n4.478080 0.000000 0.000000\n0.000000 4.504857 0.000000\n0.000000 0.031775 9.141015\nCo O F\n6 6 6\ndirect\n0.962538 0.221456 0.916635 Co\n0.016795 0.280491 0.250221 Co\n0.018315 0.280434 0.583442 Co\n0.462538 0.778544 0.083365 Co\n0.516795 0.719509 0.749779 Co\n0.518315 0.719566 0.416558 Co\n0.807675 0.426657 0.749615 O\n0.826722 0.451829 0.417589 O\n0.307675 0.573343 0.250385 O\n0.326722 0.548171 0.582411 O\n0.668865 0.931977 0.916536 O\n0.168865 0.068023 0.083464 O\n0.768714 0.470970 0.084622 F\n0.268714 0.529030 0.915378 F\n0.723058 0.946650 0.578109 F\n0.707317 0.968746 0.256711 F\n0.207317 0.031254 0.743289 F\n0.223058 0.053350 0.421891 F\n","nsites":18,"nelements":3,"elements":["Co","O","F"],"chemical_system":"Co-F-O","density":5.075069645050733,"density_atomic":0.09761245286072323,"volume":184.4027014225635,"volume_molar":6.169439024949609,"formula_full":"Co6 O6 F6","formula_reduced":"CoOF","formula_anonymous":"ABC","energy":-112.84985015,"energy_per_atom":-6.269436119444444,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-96.12785015,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.3070923,"is_theoretical":true,"updated_at":"2021-11-28T01:38:31.437000Z","spacegroup":4},{"id":"mp-1204121","created_at":"2022-09-04T14:48:10.888695Z","structure_string":"Co4 H28 C16 N8 O24\n1.0\n0.000000 0.000000 9.039603\n9.536390 0.000000 0.000000\n0.000000 12.061397 0.000000\nCo H C N O\n4 28 16 8 24\ndirect\n0.750000 0.251836 0.250000 Co\n0.750000 0.248164 0.750000 Co\n0.250000 0.748164 0.750000 Co\n0.250000 0.751836 0.250000 Co\n0.556654 0.186951 0.345403 H\n0.556654 0.313049 0.654597 H\n0.943346 0.186951 0.154597 H\n0.943346 0.313049 0.845403 H\n0.443346 0.813049 0.654597 H\n0.443346 0.686951 0.345403 H\n0.056654 0.813049 0.845403 H\n0.056654 0.686951 0.154597 H\n0.633855 0.025407 0.386120 H\n0.633855 0.474593 0.613880 H\n0.866145 0.025407 0.113880 H\n0.866145 0.474593 0.886120 H\n0.366145 0.974593 0.613880 H\n0.366145 0.525407 0.386120 H\n0.133855 0.974593 0.886120 H\n0.133855 0.525407 0.113880 H\n0.620073 0.581236 0.235061 H\n0.620073 0.918764 0.764939 H\n0.879927 0.581236 0.264939 H\n0.879927 0.918764 0.735061 H\n0.379927 0.418764 0.764939 H\n0.379927 0.081236 0.235061 H\n0.120073 0.418764 0.735061 H\n0.120073 0.081236 0.264939 H\n0.836429 0.250000 0.000000 H\n0.663571 0.250000 0.500000 H\n0.163571 0.750000 0.000000 H\n0.336429 0.750000 0.500000 H\n0.549038 0.512126 0.286030 C\n0.549038 0.987874 0.713970 C\n0.950962 0.512126 0.213970 C\n0.950962 0.987874 0.786030 C\n0.450962 0.487874 0.713970 C\n0.450962 0.012126 0.286030 C\n0.049038 0.487874 0.786030 C\n0.049038 0.012126 0.213970 C\n0.712274 0.250000 0.000000 C\n0.787726 0.250000 0.500000 C\n0.287726 0.750000 0.000000 C\n0.212274 0.750000 0.500000 C\n0.315636 0.250000 0.000000 C\n0.184364 0.250000 0.500000 C\n0.684364 0.750000 0.000000 C\n0.815636 0.750000 0.500000 C\n0.560856 0.079928 0.338500 N\n0.560856 0.420072 0.661500 N\n0.939144 0.079928 0.161500 N\n0.939144 0.420072 0.838500 N\n0.439144 0.920072 0.661500 N\n0.439144 0.579928 0.338500 N\n0.060856 0.920072 0.838500 N\n0.060856 0.579928 0.161500 N\n0.649593 0.228481 0.092497 O\n0.649593 0.271519 0.907503 O\n0.850407 0.228481 0.407503 O\n0.850407 0.271519 0.592497 O\n0.350407 0.771519 0.907503 O\n0.350407 0.728481 0.092497 O\n0.149593 0.771519 0.592497 O\n0.149593 0.728481 0.407503 O\n0.570329 0.383197 0.292741 O\n0.570329 0.116803 0.707259 O\n0.929671 0.383197 0.207259 O\n0.929671 0.116803 0.792741 O\n0.429671 0.616803 0.707259 O\n0.429671 0.883197 0.292741 O\n0.070329 0.616803 0.792741 O\n0.070329 0.883197 0.207259 O\n0.311788 0.344546 0.062586 O\n0.311788 0.155454 0.937414 O\n0.188212 0.344546 0.437414 O\n0.188212 0.155454 0.562586 O\n0.688212 0.655454 0.937414 O\n0.688212 0.844546 0.062586 O\n0.811788 0.655454 0.562586 O\n0.811788 0.844546 0.437414 O\n","nsites":80,"nelements":5,"elements":["Co","H","C","N","O"],"chemical_system":"C-Co-H-N-O","density":1.5206545483334166,"density_atomic":0.07694121024601482,"volume":1039.7548952532056,"volume_molar":7.826937918892326,"formula_full":"Co4 H28 C16 N8 O24","formula_reduced":"CoH7C4(NO3)2","formula_anonymous":"AB2C4D6E7","energy":-524.5482438399999,"energy_per_atom":-6.556853047999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-498.62024384,"band_gap":1.3106,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":8.0016062,"is_theoretical":true,"updated_at":"2021-11-28T01:38:32.165000Z","spacegroup":52},{"id":"mp-1080817","created_at":"2022-09-04T14:48:10.712841Z","structure_string":"Nb3 Fe3 B3\n1.0\n3.004352 -5.203691 0.000000\n3.004352 5.203691 0.000000\n0.000000 0.000000 3.217565\nNb Fe B\n3 3 3\ndirect\n0.411119 0.411119 0.500000 Nb\n0.588881 0.000000 0.500000 Nb\n0.000000 0.588881 0.500000 Nb\n0.761293 0.761293 0.000000 Fe\n0.238707 0.000000 0.000000 Fe\n0.000000 0.238707 0.000000 Fe\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n0.000000 0.000000 0.500000 B\n","nsites":9,"nelements":3,"elements":["Nb","Fe","B"],"chemical_system":"B-Fe-Nb","density":7.9009846559283785,"density_atomic":0.08945875918316797,"volume":100.60501712942813,"volume_molar":6.7317508257291925,"formula_full":"Nb3 Fe3 B3","formula_reduced":"NbFeB","formula_anonymous":"ABC","energy":-80.61172303999999,"energy_per_atom":-8.956858115555555,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.61172303999999,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.3430385,"is_theoretical":false,"updated_at":"2021-11-28T01:38:37.387000Z","spacegroup":189},{"id":"mp-1181300","created_at":"2022-09-04T14:48:10.406098Z","structure_string":"Mg16 Si2 W18 O98\n1.0\n13.599113 0.069734 -0.010041\n-6.739164 11.812044 -0.010041\n-0.010656 -0.018456 14.382648\nMg Si W O\n16 2 18 98\ndirect\n0.407704 0.815155 0.703744 Mg\n0.184723 0.593131 0.703227 Mg\n0.408347 0.589400 0.705171 Mg\n0.815155 0.407704 0.203744 Mg\n0.593131 0.184723 0.203227 Mg\n0.589400 0.408347 0.205171 Mg\n0.464170 0.230991 0.560278 Mg\n0.768055 0.230654 0.559564 Mg\n0.769306 0.536634 0.560186 Mg\n0.230991 0.464170 0.060278 Mg\n0.230654 0.768055 0.059564 Mg\n0.536634 0.769306 0.060186 Mg\n0.996105 0.998091 0.929588 Mg\n0.998091 0.996105 0.429588 Mg\n0.666353 0.333508 0.410725 Mg\n0.333508 0.666353 0.910725 Mg\n0.665862 0.333024 0.011280 Si\n0.333024 0.665862 0.511280 Si\n0.329837 0.928453 0.505235 W\n0.071594 0.399743 0.506328 W\n0.598673 0.671104 0.507416 W\n0.928453 0.329837 0.005235 W\n0.399743 0.071594 0.006328 W\n0.671104 0.598673 0.007416 W\n0.071823 0.671652 0.504725 W\n0.329072 0.400610 0.505823 W\n0.601051 0.926313 0.507907 W\n0.671652 0.071823 0.004725 W\n0.400610 0.329072 0.005823 W\n0.926313 0.601051 0.007907 W\n0.760522 0.241349 0.811989 W\n0.762412 0.520420 0.812292 W\n0.477885 0.236041 0.812103 W\n0.241349 0.760522 0.311989 W\n0.520420 0.762412 0.312292 W\n0.236041 0.477885 0.312103 W\n0.290977 0.927862 0.015344 O\n0.072688 0.363755 0.014022 O\n0.635630 0.708755 0.014383 O\n0.927862 0.290977 0.515344 O\n0.363755 0.072688 0.514022 O\n0.708755 0.635630 0.514383 O\n0.927407 0.637092 0.513303 O\n0.365124 0.291176 0.513742 O\n0.708989 0.070485 0.516717 O\n0.637092 0.927407 0.013303 O\n0.291176 0.365124 0.013742 O\n0.070485 0.708989 0.016717 O\n0.159286 0.841356 0.519373 O\n0.159946 0.317750 0.518988 O\n0.678939 0.836205 0.519112 O\n0.841356 0.159286 0.019373 O\n0.317750 0.159946 0.018988 O\n0.836205 0.678939 0.019112 O\n0.049089 0.524349 0.471261 O\n0.474578 0.523561 0.472295 O\n0.475702 0.949667 0.472443 O\n0.524349 0.049089 0.971261 O\n0.523561 0.474578 0.972295 O\n0.949667 0.475702 0.972443 O\n0.904623 0.294480 0.867355 O\n0.700066 0.605700 0.867119 O\n0.387598 0.093828 0.867747 O\n0.294480 0.904623 0.367355 O\n0.605700 0.700066 0.367119 O\n0.093828 0.387598 0.367747 O\n0.109473 0.658340 0.623212 O\n0.342230 0.450415 0.624949 O\n0.548480 0.891502 0.626071 O\n0.658340 0.109473 0.123212 O\n0.450415 0.342230 0.124949 O\n0.891502 0.548480 0.126071 O\n0.947313 0.836926 0.911213 O\n0.164937 0.098669 0.926482 O\n0.908720 0.078579 0.934957 O\n0.836926 0.947313 0.411213 O\n0.098669 0.164937 0.426482 O\n0.078579 0.908720 0.434957 O\n0.341842 0.890716 0.624163 O\n0.108790 0.451665 0.624595 O\n0.546945 0.652845 0.626197 O\n0.890716 0.341842 0.124163 O\n0.451665 0.108790 0.124595 O\n0.652845 0.546945 0.126197 O\n0.719809 0.443126 0.301469 O\n0.556752 0.278968 0.301085 O\n0.722045 0.279017 0.301263 O\n0.443126 0.719809 0.801469 O\n0.278968 0.556752 0.801085 O\n0.279017 0.722045 0.801263 O\n0.603187 0.208606 0.800678 O\n0.792372 0.396824 0.800196 O\n0.603137 0.394587 0.798745 O\n0.208606 0.603187 0.300678 O\n0.396824 0.792372 0.300196 O\n0.394587 0.603137 0.298745 O\n0.784041 0.216798 0.694357 O\n0.785233 0.568913 0.694889 O\n0.429504 0.212691 0.694522 O\n0.216798 0.784041 0.194357 O\n0.568913 0.785233 0.194889 O\n0.212691 0.429504 0.194522 O\n0.704597 0.095948 0.866735 O\n0.904119 0.610369 0.868381 O\n0.391299 0.296810 0.866662 O\n0.095948 0.704597 0.366735 O\n0.610369 0.904119 0.368381 O\n0.296810 0.391299 0.366662 O\n0.611752 0.388179 0.523177 O\n0.612449 0.224545 0.522571 O\n0.775498 0.387755 0.522945 O\n0.388179 0.611752 0.023177 O\n0.224545 0.612449 0.022571 O\n0.387755 0.775498 0.022945 O\n0.484622 0.972431 0.775286 O\n0.029866 0.518397 0.777947 O\n0.493143 0.503320 0.776470 O\n0.972431 0.484622 0.275286 O\n0.518397 0.029866 0.277947 O\n0.503320 0.493143 0.276470 O\n0.040879 0.930165 0.039393 O\n0.070689 0.122657 0.034106 O\n0.887065 0.957368 0.044821 O\n0.930165 0.040879 0.539393 O\n0.122657 0.070689 0.534106 O\n0.957368 0.887065 0.544821 O\n0.732855 0.267264 0.970090 O\n0.731403 0.464711 0.970838 O\n0.533615 0.266581 0.970652 O\n0.267264 0.732855 0.470090 O\n0.464711 0.731403 0.470838 O\n0.266581 0.533615 0.470651 O\n0.666133 0.333390 0.124307 O\n0.333390 0.666133 0.624307 O\n","nsites":134,"nelements":4,"elements":["Mg","Si","W","O"],"chemical_system":"Mg-O-Si-W","density":3.8140893099230175,"density_atomic":0.0578312438108634,"volume":2317.086598348911,"volume_molar":10.41329973758711,"formula_full":"Mg16 Si2 W18 O98","formula_reduced":"Mg8SiW9O49","formula_anonymous":"AB8C9D49","energy":-984.65418432,"energy_per_atom":-7.348165554626866,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-837.4441843199999,"band_gap":0.1379000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":48.0688664,"is_theoretical":true,"updated_at":"2021-11-28T01:38:34.267000Z","spacegroup":9},{"id":"mp-1518218","created_at":"2022-09-04T14:48:10.723330Z","structure_string":"Ca2 Zr1 V1 O6\n1.0\n-0.000000 -3.997191 -3.997191\n3.997191 -0.000000 -3.997191\n3.997191 -3.997191 0.000000\nCa Zr V O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n-0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 V\n0.740407 0.259593 0.259593 O\n0.259593 0.740407 0.740407 O\n0.740407 0.259593 0.740407 O\n0.259593 0.740407 0.259593 O\n0.740407 0.740407 0.259593 O\n0.259593 0.259593 0.740407 O\n","nsites":10,"nelements":4,"elements":["Ca","Zr","V","O"],"chemical_system":"Ca-O-V-Zr","density":4.138237959907998,"density_atomic":0.07828982128103189,"volume":127.73052532721526,"volume_molar":7.692112028692353,"formula_full":"Ca2 Zr1 V1 O6","formula_reduced":"Ca2ZrVO6","formula_anonymous":"ABC2D6","energy":-82.69045842,"energy_per_atom":-8.269045842,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.86845842,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:29.430000Z","spacegroup":225},{"id":"mp-1048332","created_at":"2022-09-04T14:48:10.725979Z","structure_string":"Zn4 Cr4 P8 O28\n1.0\n8.453161 0.000000 0.000000\n0.000000 7.105954 0.000000\n0.000000 3.195041 8.783914\nZn Cr P O\n4 4 8 28\ndirect\n0.937934 0.308050 0.813516 Zn\n0.437934 0.691950 0.686484 Zn\n0.562066 0.308050 0.313516 Zn\n0.062066 0.691950 0.186484 Zn\n0.066486 0.760166 0.612161 Cr\n0.933514 0.239834 0.387839 Cr\n0.566486 0.239834 0.887839 Cr\n0.433514 0.760166 0.112161 Cr\n0.738278 0.930786 0.248708 P\n0.228431 0.461517 0.972524 P\n0.761722 0.930786 0.748708 P\n0.271569 0.461517 0.472524 P\n0.238278 0.069214 0.251292 P\n0.728431 0.538483 0.527476 P\n0.771569 0.538483 0.027476 P\n0.261722 0.069214 0.751292 P\n0.189243 0.249040 0.096374 O\n0.603992 0.883392 0.692973 O\n0.896008 0.883392 0.192973 O\n0.389778 0.452854 0.895661 O\n0.810757 0.750960 0.903626 O\n0.102255 0.047956 0.363425 O\n0.610222 0.547146 0.104339 O\n0.090842 0.502609 0.860876 O\n0.260841 0.617400 0.554292 O\n0.897745 0.952044 0.636575 O\n0.397745 0.047956 0.863425 O\n0.755084 0.116336 0.799872 O\n0.255084 0.883664 0.700128 O\n0.310757 0.249040 0.596374 O\n0.602255 0.952044 0.136575 O\n0.103992 0.116608 0.807027 O\n0.244916 0.883664 0.200128 O\n0.909158 0.497391 0.139124 O\n0.239159 0.617400 0.054292 O\n0.760841 0.382600 0.945708 O\n0.889778 0.547146 0.604339 O\n0.409158 0.502609 0.360876 O\n0.590842 0.497391 0.639124 O\n0.396008 0.116608 0.307027 O\n0.744916 0.116336 0.299872 O\n0.110222 0.452854 0.395661 O\n0.739159 0.382600 0.445708 O\n0.689243 0.750960 0.403626 O\n","nsites":44,"nelements":4,"elements":["Zn","Cr","P","O"],"chemical_system":"Cr-O-P-Zn","density":3.6676860581010016,"density_atomic":0.08339174638647555,"volume":527.6301541412006,"volume_molar":7.221506948770016,"formula_full":"Zn4 Cr4 P8 O28","formula_reduced":"ZnCrP2O7","formula_anonymous":"ABC2D7","energy":-333.76238089000003,"energy_per_atom":-7.58550865659091,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-306.53038089,"band_gap":2.5553000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9987326,"is_theoretical":true,"updated_at":"2021-11-28T01:38:24.149000Z","spacegroup":14},{"id":"mp-19362","created_at":"2022-09-04T14:48:10.734410Z","structure_string":"K2 Fe2 Mo4 O16\n1.0\n5.776932 -0.000493 -0.001021\n2.886725 5.000836 7.372267\n-2.889353 -5.002039 7.374097\nK Fe Mo O\n2 2 4 16\ndirect\n0.000042 0.000077 0.999945 K\n0.999948 0.499887 0.500008 K\n0.000208 0.750026 0.750095 Fe\n0.999976 0.250033 0.249921 Fe\n0.666731 0.202301 0.535613 Mo\n0.333242 0.297697 0.964366 Mo\n0.666757 0.702376 0.035625 Mo\n0.333286 0.797621 0.464373 Mo\n0.666697 0.821026 0.154184 O\n0.666682 0.320979 0.654288 O\n0.333209 0.179001 0.845708 O\n0.333269 0.678991 0.345786 O\n0.839213 0.751180 0.912228 O\n0.839193 0.251178 0.412177 O\n0.322040 0.751211 0.912267 O\n0.321949 0.251167 0.412207 O\n0.160925 0.507331 0.829235 O\n0.160881 0.007360 0.329185 O\n0.160771 0.248802 0.087776 O\n0.160820 0.748820 0.587792 O\n0.839099 0.492646 0.170775 O\n0.839066 0.992694 0.670843 O\n0.678026 0.248811 0.087767 O\n0.677968 0.748784 0.587838 O\n","nsites":24,"nelements":4,"elements":["K","Fe","Mo","O"],"chemical_system":"Fe-K-Mo-O","density":3.2332461873466083,"density_atomic":0.056326505183341785,"volume":426.0871488809828,"volume_molar":10.691486610784814,"formula_full":"K2 Fe2 Mo4 O16","formula_reduced":"KFe(MoO4)2","formula_anonymous":"ABC2D8","energy":-189.94882277,"energy_per_atom":-7.914534282083333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-161.63682277,"band_gap":2.4118,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":9e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:38:32.248000Z","spacegroup":164},{"id":"mp-542469","created_at":"2022-09-04T14:48:10.737832Z","structure_string":"Gd8 Si8 O28\n1.0\n6.724393 0.000000 0.000000\n-0.178150 6.772226 0.000000\n-0.186173 -0.943325 12.241375\nGd Si O\n8 8 28\ndirect\n0.054067 0.329544 0.116090 Gd\n0.945933 0.670456 0.883910 Gd\n0.116668 0.090673 0.358032 Gd\n0.883332 0.909327 0.641968 Gd\n0.632692 0.774149 0.368694 Gd\n0.367308 0.225851 0.631306 Gd\n0.333188 0.827671 0.106011 Gd\n0.666812 0.172329 0.893989 Gd\n0.847005 0.850989 0.116456 Si\n0.152995 0.149011 0.883544 Si\n0.513153 0.332926 0.175863 Si\n0.486847 0.667074 0.824137 Si\n0.623292 0.270737 0.404724 Si\n0.376708 0.729263 0.595276 Si\n0.853262 0.372320 0.616884 Si\n0.146738 0.627680 0.383116 Si\n0.359845 0.490119 0.128438 O\n0.640155 0.509881 0.871562 O\n0.379151 0.139928 0.208305 O\n0.620849 0.860072 0.791695 O\n0.699487 0.293444 0.095065 O\n0.300513 0.706556 0.904935 O\n0.600279 0.423224 0.304698 O\n0.399721 0.576776 0.695302 O\n0.415276 0.172978 0.444911 O\n0.584724 0.827022 0.555089 O\n0.771921 0.092009 0.376744 O\n0.228079 0.907991 0.623256 O\n0.711124 0.421998 0.508674 O\n0.288876 0.578002 0.491326 O\n0.712100 0.219616 0.684503 O\n0.287900 0.780384 0.315497 O\n0.034964 0.229725 0.572916 O\n0.965036 0.770275 0.427084 O\n0.922463 0.578784 0.684738 O\n0.077537 0.421216 0.315262 O\n0.761258 0.911230 0.998905 O\n0.238742 0.088770 0.001095 O\n0.658559 0.787598 0.188409 O\n0.341441 0.212402 0.811591 O\n0.002327 0.669473 0.080916 O\n0.997673 0.330527 0.919084 O\n0.998775 0.013735 0.183345 O\n0.001225 0.986265 0.816655 O\n","nsites":44,"nelements":3,"elements":["Gd","Si","O"],"chemical_system":"Gd-O-Si","density":5.750979023174725,"density_atomic":0.07892924418474069,"volume":557.4613117669569,"volume_molar":7.629796562988316,"formula_full":"Gd8 Si8 O28","formula_reduced":"Gd2Si2O7","formula_anonymous":"A2B2C7","energy":-453.77585802,"energy_per_atom":-10.313087682272727,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-434.53985802,"band_gap":2.7198,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":55.9995381,"is_theoretical":false,"updated_at":"2021-11-28T01:38:26.639000Z","spacegroup":2},{"id":"mp-558477","created_at":"2022-09-04T14:48:11.795557Z","structure_string":"Ba12 V8 P12 O60\n1.0\n5.196958 0.000000 0.000000\n0.000000 12.649110 0.000000\n0.000000 0.000000 21.187419\nBa V P O\n12 8 12 60\ndirect\n0.191879 0.623619 0.436822 Ba\n0.308121 0.376381 0.936822 Ba\n0.723654 0.139030 0.420419 Ba\n0.202919 0.781916 0.756841 Ba\n0.691879 0.876381 0.563178 Ba\n0.297081 0.218084 0.256841 Ba\n0.808121 0.123619 0.063178 Ba\n0.223654 0.360970 0.579581 Ba\n0.276346 0.639030 0.079581 Ba\n0.797081 0.281916 0.743159 Ba\n0.702919 0.718084 0.243159 Ba\n0.776346 0.860970 0.920419 Ba\n0.673052 0.607940 0.680324 V\n0.714199 0.442092 0.346785 V\n0.785801 0.557908 0.846785 V\n0.326948 0.107940 0.819676 V\n0.285801 0.942092 0.153215 V\n0.826948 0.392060 0.180324 V\n0.214199 0.057908 0.653215 V\n0.173052 0.892060 0.319676 V\n0.218798 0.324734 0.410996 P\n0.186995 0.680501 0.594198 P\n0.698535 0.964120 0.738731 P\n0.198535 0.535880 0.261269 P\n0.301465 0.464120 0.761269 P\n0.781202 0.824734 0.089004 P\n0.686995 0.819499 0.405802 P\n0.801465 0.035880 0.238731 P\n0.813005 0.180501 0.905802 P\n0.281202 0.675266 0.910996 P\n0.718798 0.175266 0.589004 P\n0.313005 0.319499 0.094198 P\n0.013449 0.831072 0.136429 O\n0.293120 0.429896 0.066339 O\n0.788838 0.716359 0.055788 O\n0.967212 0.176983 0.632479 O\n0.941787 0.694199 0.638187 O\n0.210313 0.135015 0.746771 O\n0.667059 0.068439 0.777815 O\n0.750988 0.513685 0.158064 O\n0.441787 0.805801 0.361813 O\n0.288838 0.783641 0.944212 O\n0.711162 0.283641 0.555788 O\n0.710313 0.364985 0.253229 O\n0.037783 0.049413 0.193996 O\n0.486551 0.168928 0.636429 O\n0.711991 0.506682 0.414716 O\n0.332941 0.568439 0.722185 O\n0.286829 0.367923 0.717031 O\n0.793120 0.070104 0.933661 O\n0.931640 0.794125 0.362377 O\n0.032788 0.676983 0.867521 O\n0.513449 0.668928 0.863571 O\n0.786829 0.132077 0.282969 O\n0.288009 0.006682 0.085284 O\n0.211162 0.216359 0.444212 O\n0.532788 0.823017 0.132479 O\n0.221154 0.417076 0.457087 O\n0.537783 0.450587 0.806004 O\n0.431640 0.705875 0.637623 O\n0.249012 0.013685 0.341936 O\n0.823511 0.267077 0.956094 O\n0.676489 0.732923 0.456094 O\n0.323511 0.232923 0.043906 O\n0.778846 0.917076 0.042913 O\n0.789687 0.635015 0.753229 O\n0.832941 0.931561 0.277815 O\n0.706880 0.929896 0.433661 O\n0.250988 0.986315 0.841936 O\n0.788009 0.493318 0.914716 O\n0.206880 0.570104 0.566339 O\n0.289687 0.864985 0.246771 O\n0.462217 0.950587 0.693996 O\n0.986551 0.331072 0.363571 O\n0.058213 0.194199 0.861813 O\n0.568360 0.205875 0.862377 O\n0.213171 0.632077 0.217031 O\n0.442892 0.534148 0.303114 O\n0.942892 0.965852 0.696886 O\n0.211991 0.993318 0.585284 O\n0.176489 0.767077 0.543906 O\n0.713171 0.867923 0.782969 O\n0.167059 0.431561 0.222185 O\n0.557108 0.034148 0.196886 O\n0.558213 0.305801 0.138187 O\n0.962217 0.549413 0.306004 O\n0.057108 0.465852 0.803114 O\n0.278846 0.582924 0.957087 O\n0.721154 0.082924 0.542913 O\n0.749012 0.486315 0.658064 O\n0.467212 0.323017 0.367521 O\n0.068360 0.294125 0.137623 O\n","nsites":92,"nelements":4,"elements":["Ba","V","P","O"],"chemical_system":"Ba-O-P-V","density":4.038225289997345,"density_atomic":0.06605422413580404,"volume":1392.7951043804978,"volume_molar":9.116965400454621,"formula_full":"Ba12 V8 P12 O60","formula_reduced":"Ba3V2(PO5)3","formula_anonymous":"A2B3C3D15","energy":-732.94642249,"energy_per_atom":-7.966808940108696,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-678.12642249,"band_gap":1.5997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.3275389,"is_theoretical":false,"updated_at":"2021-11-28T01:38:35.655000Z","spacegroup":19}]}